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2,3,4,6,11,11a-hexahydro-1H-benzo[b]quinolizine-7-sulfonic acid

2,3,4,6,11,11a-hexahydro-1H-benzo[b]quinolizine-7-sulfonic acid structure

CAS No:
5361-48-8
Formula:
C13H17NO3S
Chemical Name:
2,3,4,6,11,11a-hexahydro-1H-benzo[b]quinolizine-7-sulfonic acid
Synonyms:
7-Sulfo-benzochinolizidin; 1,3,4,6,11,11a-Hexahydro-2H-pyrido[1,2-b]isoquinoline-7-sulfonic acid;

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2,3,4,6,11,11a-hexahydro-1H-benzo[b]quinolizine-7-sulfonic acid Basic Attributes

Molecular Weight：

267.34400

Exact Mass：

267.09291458 g/mol

NSC Number：

98868

HScode：

2933990090

Characteristics

PSA：

65.99000

XLogP3：

2.86260

Density：

1.4g/cm3

Refractive Index：

1.645

Computed Properties

Molecular Weight:267.35
XLogP3:-0.8
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:267.09291458
Monoisotopic Mass:267.09291458
Topological Polar Surface Area:66
Heavy Atom Count:18
Complexity:403
Undefined Atom Stereocenter Count:1
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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Guide of 2,3,4,6,11,11a-hexahydro-1H-benzo[b]quinolizine-7-sulfonic acid

Basic Attributes

Characteristics

Computed Properties

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